3-N,3-N-dimethyl-1-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]benzene-1,3-diamine

C14H21N5 — CID 115377844

IUPAC3-N,3-N-dimethyl-1-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]benzene-1,3-diamine
SMILESCCCn1ncnc1CNc1cccc(N(C)C)c1
InChIInChI=1S/C14H21N5/c1-4-8-19-14(16-11-17-19)10-15-12-6-5-7-13(9-12)18(2)3/h5-7,9,11,15H,4,8,10H2,1-3H3
InChIKeyONPJKJLTUZRMQG-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.37
Rot. Bonds6

About 3-N,3-N-dimethyl-1-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]benzene-1,3-diamine

3-N,3-N-dimethyl-1-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]benzene-1,3-diamine (PubChem CID 115377844) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]benzene-1,3-diamine
PubChem CID115377844
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name3-N,3-N-dimethyl-1-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]benzene-1,3-diamine
SMILESCCCn1ncnc1CNc1cccc(N(C)C)c1
InChIInChI=1S/C14H21N5/c1-4-8-19-14(16-11-17-19)10-15-12-6-5-7-13(9-12)18(2)3/h5-7,9,11,15H,4,8,10H2,1-3H3
InChIKeyONPJKJLTUZRMQG-UHFFFAOYSA-N
XLogP2.37
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-N,3-N-dimethyl-1-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]benzene-1,3-diamine with MolForge

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Related Compounds

2-methylsulfanyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]aniline
CID 107644779
3-N,3-N-dimethyl-1-N-(pyrimidin-5-ylmethyl)benzene-1,3-diamine
CID 115376077
3-N,3-N-dimethyl-1-N-[(1-methyltriazol-4-yl)methyl]benzene-1,3-diamine
CID 113297450
1-N-[[4-(dimethylamino)phenyl]methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82538778
3-chloro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 62695858
1-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115377560
3-N,3-N-dimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine
CID 115376184
2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 103461398
1-N-[(5-bromo-3-pyridinyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113454201
1-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106759552
[5-[[3-(dimethylamino)anilino]methyl]furan-2-yl]methanol
CID 113297533
1-N-[(5-iodofuran-2-yl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113297515

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]benzene-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-1-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]benzene-1,3-diamine (CID 115377844) is 3-N,3-N-dimethyl-1-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]benzene-1,3-diamine is CCCn1ncnc1CNc1cccc(N(C)C)c1.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]benzene-1,3-diamine?
The InChIKey is ONPJKJLTUZRMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-8-19-14(16-11-17-19)10-15-12-6-5-7-13(9-12)18(2)3/h5-7,9,11,15H,4,8,10H2,1-3H3.
What are the key properties of 3-N,3-N-dimethyl-1-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]benzene-1,3-diamine?
3-N,3-N-dimethyl-1-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]benzene-1,3-diamine has a molecular weight of 259.36 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]benzene-1,3-diamine is sourced from PubChem (CID 115377844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).